octadecanoate; [(E)-octadec-9-enoyl] docosanoate

Systemtic Name: octadecanoate; [(E)-octadec-9-enoyl] docosanoate Openeye Name: octadecanoate; [(E)-octadec-9-enoyl] docosanoate CAS Name: docosanoic acid [(E)-1-oxooctadec-9-enyl] ester; octadecanoate IUPAC Name: octadecanoate; [(E)-octadec-9-enoyl] docosanoate Traditional Name: behenic acid [(E)-octadec-9-enoyl] ester; stearate Formula: C58H111O5- MolecularWeight: 888.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCC=CCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCC/C=C/CCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-]

InChI

InChI=1S/C40H76O3.C18H36O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-40(42)43-39(41)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18,23H,3-17,19-22,24-38H2,1-2H3;2-17H2,1H3,(H,19,20)/p-1/b23-18+;